File name: Pandora55s1_QueensNY_20211124_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T105236.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c19p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v19d20211111.txt Level 1 file used: Pandora55s1_QueensNY_20211124_L1_smca1c19d20211111p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20211124 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0379 305.1778 305.3178 305.4578 305.5977 305.7376 305.8776 306.0175 306.1574 306.2973 306.4372 306.5770 306.7169 306.8567 306.9966 307.1364 307.2762 307.4160 307.5558 307.6956 307.8354 307.9752 308.1149 308.2547 308.3944 308.5341 308.6738 308.8135 308.9532 309.0929 309.2326 309.3723 309.5119 309.6515 309.7912 309.9308 310.0704 310.2100 310.3496 310.4892 310.6287 310.7683 310.9079 311.0474 311.1869 311.3264 311.4659 311.6054 311.7449 311.8844 312.0239 312.1633 312.3028 312.4422 312.5816 312.7210 312.8604 312.9998 313.1392 313.2786 313.4179 313.5573 313.6966 313.8360 313.9753 314.1146 314.2539 314.3932 314.5324 314.6717 314.8110 314.9502 315.0895 315.2287 315.3679 315.5071 315.6463 315.7855 315.9246 316.0638 316.2030 316.3421 316.4812 316.6204 316.7595 316.8986 317.0377 317.1767 317.3158 317.4549 317.5939 317.7329 317.8720 318.0110 318.1500 318.2890 318.4280 318.5669 318.7059 318.8449 318.9838 319.1227 319.2617 319.4006 319.5395 319.6784 319.8172 319.9561 320.0950 320.2338 320.3726 320.5115 320.6503 320.7891 320.9279 321.0667 321.2054 321.3442 321.4830 321.6217 321.7604 321.8991 322.0379 322.1766 322.3152 322.4539 322.5926 322.7312 322.8699 323.0085 323.1471 323.2857 323.4243 323.5629 323.7015 323.8401 323.9786 324.1172 324.2557 324.3943 324.5328 324.6713 324.8098 324.9483 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20211124T124643.8Z 7998.532452 288 1 49.84 2 82.14 126.07 52.63 271.64 0.00 1 0.00 1 0 25 6.581e-01 1.910e-02 2.005e-01 3.554e-03 8.588814e-01 2.077177e-03 9.694301e-03 -6.000000e+00 3.962928e-01 223.14 -2.00 3.51 -2.00 321.73 0.00e+00 7.212055e-03 1.170011e-03 6.238257e-03 -6.000000e+00 2.044059e-02 279.56 -2.00 20.00 -2.00 321.25 0.00e+00 6.824 0.006 302.00 328.00 3 2.6122e-01 7.6132e-03 9.0898e-02 -6.0000e+00 9.7952e-01 3.6162e-01 1.1523e-02 7.2249e-02 -6.0000e+00 1.0765e+00 -4.6345e-01 1.2376e-02 2.7592e-02 -6.0000e+00 6.3773e-01 1.8716e-01 5.6159e-03 1.1248e-02 -6.0000e+00 2.6498e-01 1.9955e-04 -3.1979e-03 1.0070e-04 1.1599e-04 -6.0000e+00 2.0363e-02 4.1495e-03 -1.2786e-04 12 8 8 10 0 0 30.26 22.68 0.33 0.00415 -0.01988 100 19 1 5 0 498.310 25.58 19.99 22.68 5.79 29.2 942.47 237156 900000 900000 -325871 900000 900000 -242607 900000 -84906 -130546 -277632 -58312 -234801 -209903 900000 900000 -176582 900000 900000 900000 900000 -33387 900000 -82638 900000 -47941 900000 16354 20277 -117743 33093 53386 10872 -33223 2763 900000 -2505 9537 102982 57326 -18283 47543 -13064 11781 22563 86984 2589 47847 52308 55486 28422 11970 12726 40544 37371 14571 32497 20098 24881 12244 10210 24160 12540 2566 17048 1352 22044 1628 10207 7079 -1424 3019 8468 -2900 13839 1061 8526 9657 2957 1415 -1136 4111 1635 1159 -4104 -1526 -3098 -1128 -2308 -859 -1228 -1138 905 453 -815 -1453 -2381 -1815 -648 -2702 -373 -777 177 1596 -50 -1307 -1419 -1496 -774 942 -624 -1487 -280 -369 -576 85 1110 1724 177 -32 -838 -134 957 1608 643 407 472 1645 983 -855 594 642 901 948 837 -303 -210 149 -673 -1056 -92 -238 174 -585 820 900000 900000 -8494 900000 900000 -2642 900000 -293 -615 -5870 -202 -4869 -4617 900000 900000 -5489 900000 900000 900000 900000 -360 900000 -1539 900000 -722 900000 136 165 -3898 311 517 192 -992 60 900000 -59 226 1197 1229 -915 1422 -733 547 973 2112 144 1829 2055 2306 1685 931 1101 2978 3048 1539 3031 2109 2463 1330 1133 2501 1625 417 2707 262 3574 327 2051 1643 -399 871 2370 -873 3330 262 1811 2002 704 395 -386 1552 711 551 -2170 -831 -1795 -669 -1402 -511 -706 -622 468 237 -464 -946 -1809 -1579 -624 -2835 -385 -758 157 1307 -41 -1145 -1309 -1455 -805 1064 -798 -2099 -414 -556 -858 122 1567 2448 263 -49 -1325 -208 1416 2287 902 559 632 2167 1369 -1342 1026 1208 1796 1983 1844 -705 -506 363 -1665 -2603 -219 -542 374 -1238 SS 20211124T125910.4Z 7998.541093 291 1 48.88 2 80.26 128.32 54.94 273.51 0.00 1 0.00 1 0 25 4.333e-01 8.768e-03 1.758e-01 1.723e-03 7.394311e-01 9.318525e-04 8.507256e-03 -6.000000e+00 2.516844e-01 223.14 -2.00 3.51 -2.00 321.05 0.00e+00 4.477715e-03 4.388154e-04 3.214208e-03 -6.000000e+00 1.136028e-02 279.56 -2.00 20.00 -2.00 320.52 0.00e+00 5.647 0.003 302.00 328.00 3 2.0300e-01 3.0395e-03 7.0621e-02 -6.0000e+00 6.1878e-01 1.0228e-01 4.2572e-03 4.7040e-02 -6.0000e+00 6.7385e-01 -7.1785e-02 4.5279e-03 2.0710e-02 -6.0000e+00 4.0266e-01 1.6818e-02 2.1654e-03 8.4740e-03 -6.0000e+00 1.7025e-01 7.3531e-04 -2.4079e-03 4.7823e-05 8.4656e-05 -6.0000e+00 1.2944e-02 3.1089e-03 -1.1447e-04 11 8 0 10 0 0 10.43 22.68 0.25 0.00311 -0.01498 202 38 1 5 0 241.900 25.58 20.01 22.68 6.60 29.2 946.83 -116378 -47161 900000 -250217 -52607 -155209 -67216 -42950 18877 -122486 -176454 -127391 -167242 -125949 15892 4843 -93012 -70566 67966 65691 -209 -26537 -1973 -30286 -11569 -33343 64690 -31963 -18742 -58992 1032 -11004 6620 -24585 -287 25920 -7728 -6029 8684 5690 -6770 5132 -9053 1702 -1105 14027 -6262 5672 4447 7690 6262 881 1328 4926 6916 772 5806 1550 2099 -1037 2018 4260 3886 43 2990 423 2858 1861 2053 2379 -738 114 38 -1668 739 -666 990 1773 1986 -674 68 667 -1069 -1086 -1724 -1109 -1642 -423 -1081 -168 -402 603 458 1604 1377 924 231 737 -316 -753 -275 -387 714 908 -154 -1426 -956 -947 -187 182 -218 -729 -154 42 -136 712 978 1139 292 -448 -809 -412 140 99 -6 -182 696 1429 777 -70 333 -56 480 257 225 -570 -125 229 -537 -572 -141 59 232 145 -362 -91 900000 -3966 -119 -943 -184 -105 32 -815 -2153 -1126 -2720 -1830 77 33 -1870 -1302 370 394 -2 -413 -25 -546 -191 -724 577 -715 -377 -1857 22 -316 192 -1057 -10 717 -307 -271 410 329 -506 380 -816 145 -100 1136 -630 536 450 815 739 122 204 801 1192 148 1112 312 417 -208 398 873 892 11 859 129 855 573 672 867 -307 51 17 -747 304 -256 348 605 718 -282 33 367 -662 -723 -1220 -823 -1282 -339 -883 -135 -313 445 323 1118 1013 761 216 769 -366 -919 -334 -447 758 911 -156 -1532 -1067 -1107 -231 241 -315 -1137 -249 69 -217 1099 1473 1728 458 -732 -1351 -678 223 154 -10 -272 1006 2030 1154 -113 589 -107 948 528 482 -1278 -288 536 -1274 -1353 -326 130 492 304 SS 20211124T130646.8Z 7998.546375 296 1 48.12 2 79.15 129.73 56.34 274.63 0.00 1 0.00 1 0 25 3.179e-01 7.606e-03 7.900e-02 1.234e-03 6.789419e-01 6.576684e-04 7.893245e-03 -6.000000e+00 1.846858e-01 223.14 -2.00 3.51 -2.00 320.64 0.00e+00 3.248883e-03 2.725982e-04 1.945469e-03 -6.000000e+00 8.335816e-03 279.56 -2.00 20.00 -2.00 320.08 0.00e+00 5.116 0.002 302.00 328.00 3 1.6642e-01 2.0265e-03 6.2681e-02 -6.0000e+00 4.5406e-01 8.7725e-02 2.6756e-03 3.8716e-02 -6.0000e+00 4.9446e-01 -5.4588e-02 2.6890e-03 1.8262e-02 -6.0000e+00 2.9547e-01 1.0812e-02 1.3261e-03 6.5126e-03 -6.0000e+00 1.2494e-01 1.3341e-03 -2.2839e-03 3.4820e-05 7.2103e-05 -6.0000e+00 9.4972e-03 2.9464e-03 -1.0173e-04 11 8 0 10 0 0 4.93 22.68 0.27 0.00295 -0.01422 270 51 1 5 0 178.210 25.58 19.99 22.68 7.05 29.4 948.79 -94810 -102128 900000 -177569 43965 -121725 -60421 -87661 -30409 -108069 -121229 -79883 -95431 -74045 -28914 -12630 -56767 2548 -2426 2802 -15315 -22140 -12267 -27957 -11947 -24540 20875 -23846 -11781 -39025 4207 -12187 1122 -13955 -4453 12359 -7286 -290 2875 3585 -4941 2178 -6337 72 -1935 4081 -1748 2720 2323 3279 3961 582 2426 1536 4703 269 2649 59 904 -66 1349 3309 1976 1582 827 1400 2204 1607 2031 1896 -177 37 -85 -1507 557 -290 1485 993 1567 177 164 -272 -1241 -1255 -1737 -1083 -1373 -673 -896 -196 -320 621 447 1687 1193 971 528 536 -311 -745 -189 -468 700 613 -269 -1132 -665 -976 -134 248 -240 -536 -236 24 -5 907 958 1108 410 -424 -847 -557 -36 -217 273 -36 582 1429 943 -59 190 -83 519 193 140 -396 -211 174 -512 -468 -189 64 63 257 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